(2-ethyl-2-adamantyl) 4-(4-cyanophenyl)-2-[2-(4-hydroxyphenyl)-2-methyl-propyl]-2,4-dimethyl-hexanoate

Systemtic Name: (2-ethyl-2-adamantyl) 4-(4-cyanophenyl)-2-[2-(4-hydroxyphenyl)-2-methyl-propyl]-2,4-dimethyl-hexanoate Openeye Name: (2-ethyl-2-adamantyl) 4-(4-cyanophenyl)-2-[2-(4-hydroxyphenyl)-2-methyl-propyl]-2,4-dimethyl-hexanoate CAS Name: 4-(4-cyanophenyl)-2-[2-(4-hydroxyphenyl)-2-methylpropyl]-2,4-dimethylhexanoic acid (2-ethyl-2-adamantyl) ester IUPAC Name: (2-ethyl-2-adamantyl) 4-(4-cyanophenyl)-2-[2-(4-hydroxyphenyl)-2-methylpropyl]-2,4-dimethylhexanoate Traditional Name: 4-(4-cyanophenyl)-2-[2-(4-hydroxyphenyl)-2-methyl-propyl]-2,4-dimethyl-hexanoic acid (2-ethyl-2-adamantyl) ester Formula: C37H49NO3 MolecularWeight: 555.78986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2CC3CC(C2)CC1C3)OC(=O)C(C)(CC(C)(C)C4=CC=C(C=C4)O)CC(C)(CC)C5=CC=C(C=C5)C#N

Isomeric SMILES

CCC1(C2CC3CC(C2)CC1C3)OC(=O)C(C)(CC(C)(C)C4=CC=C(C=C4)O)CC(C)(CC)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C37H49NO3/c1-7-35(5,29-11-9-25(22-38)10-12-29)24-36(6,23-34(3,4)28-13-15-32(39)16-14-28)33(40)41-37(8-2)30-18-26-17-27(20-30)21-31(37)19-26/h9-16,26-27,30-31,39H,7-8,17-21,23-24H2,1-6H3